trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane

C19H20N2O3Si — CID 42611516

IUPACtrimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane
SMILESC[Si](C)(C)Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O3Si/c1-25(2,3)13-17-18(14-7-5-4-6-8-14)20-19(24-17)15-9-11-16(12-10-15)21(22)23/h4-12H,13H2,1-3H3
InChIKeyBXPVQFWJYYNOFK-UHFFFAOYSA-N
MW352.47 g/mol
LogP5.34
Rot. Bonds5

About trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane

trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane (PubChem CID 42611516) has the molecular formula C19H20N2O3Si and a molecular weight of 352.47 g/mol. Its IUPAC name is trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane.

Molecular Properties

Compound Nametrimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane
PubChem CID42611516
Molecular FormulaC19H20N2O3Si
Molecular Weight352.47 g/mol
Exact Mass352.12
IUPAC Nametrimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane
SMILESC[Si](C)(C)Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O3Si/c1-25(2,3)13-17-18(14-7-5-4-6-8-14)20-19(24-17)15-9-11-16(12-10-15)21(22)23/h4-12H,13H2,1-3H3
InChIKeyBXPVQFWJYYNOFK-UHFFFAOYSA-N
XLogP5.34
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
4-(4-chlorophenyl)-5-ethyl-2-phenyl-1,3-oxazole
CID 15446599
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
5-butyl-4-(4-nitrophenyl)-3-phenyl-1,2-oxazole
CID 135031959
7-ethyl-5-nitro-2-phenyl-1,3-benzoxazole
CID 95911692
2-methyl-6-(4-nitrophenyl)-5-phenyl-1-benzofuran
CID 174494373
2-[(4-nitrophenyl)methyl]-5-phenyl-1,3,4-oxadiazole
CID 13004923
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
4-(benzenesulfonyl)-N,N-dimethyl-2-(4-nitrophenyl)-1,3-oxazol-5-amine
CID 4961327

Frequently Asked Questions

What is the IUPAC name of trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane?
The IUPAC name of trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane (CID 42611516) is trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane.
What is the SMILES notation for trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane?
The canonical SMILES for trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane is C[Si](C)(C)Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1.
What is the InChIKey of trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane?
The InChIKey is BXPVQFWJYYNOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3Si/c1-25(2,3)13-17-18(14-7-5-4-6-8-14)20-19(24-17)15-9-11-16(12-10-15)21(22)23/h4-12H,13H2,1-3H3.
What are the key properties of trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane?
trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane has a molecular weight of 352.47 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[[2-(4-nitrophenyl)-4-phenyl-1,3-oxazol-5-yl]methyl]silane is sourced from PubChem (CID 42611516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).